Influence mechanism of small molecular organics on the wettability of coal.

The investigation into the impact of small molecular in coal on its wettability holds significant importance in the field of coal dust control. In this study, eight coal structure models with different small molecules were constructed to analyze the effects of small molecules on the adsorption of H2O in coal, the impact on pore structure, and the interactions between small molecules and H2O. The research results indicate that Toluene and C15H32 had a promoting effect on coal wetting properties, mainly through their interactions with H2O to enhance the wetting characteristics of coal. However, dihydrofuran-2(3 H)-one had an inhibitory effect on coal wetting properties, mainly by altering the pore structure of coal to suppress the adsorption of H2O. The strength of interactions between the three small molecular and H2O was ranked from high to low as follows: dihydrofuran-2(3 H)-one > Toluene > C15H32. There was charge transfer between the three small molecular and H2O, with the amount of transferred charge ranked from large to small as follows: dihydrofuran-2(3 H)-one > Toluene > C15H32. Small molecules affected the wetting properties of coal from both their interactions with H2O and the impact on pore structure. [ABSTRACT FROM AUTHOR]